CID 13784623

2-(2-bromoethyl)-3,4-dihydro-2h-1,4-benzothiazin-3-one

Structural Information

Molecular Formula
C10H10BrNOS
SMILES
C1=CC=C2C(=C1)NC(=O)C(S2)CCBr
InChI
InChI=1S/C10H10BrNOS/c11-6-5-9-10(13)12-7-3-1-2-4-8(7)14-9/h1-4,9H,5-6H2,(H,12,13)
InChIKey
WRCXYTDZMOOWSK-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-4H-1,4-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.96664 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.97392 141.4
[M+Na]+ 293.95586 153.1
[M-H]- 269.95936 146.0
[M+NH4]+ 289.00046 161.6
[M+K]+ 309.92980 140.2
[M+H-H2O]+ 253.96390 142.2
[M+HCOO]- 315.96484 153.6
[M+CH3COO]- 329.98049 155.4
[M+Na-2H]- 291.94131 147.6
[M]+ 270.96609 159.1
[M]- 270.96719 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe